SCHEMBL10585697

SCHEMBL10585697

CC1(CCc2ccccc2)OCC(=[N+]=[N-])CO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14130984 0.78 GAA (0.41) GAAL3MBTL1OPRM1OPRL1KDM1A
SCHEMBL31274392 0.75 MAPK1 (0.41) GAAL3MBTL1OPRM1OPRL1KDM1A
SCHEMBL7781925 0.72 GAA (0.43) GAAL3MBTL1BACE1ALDH1A1ATM
SCHEMBL7997821 0.69 GAA (0.41) GAAL3MBTL1OPRM1OPRL1KDM1A
SCHEMBL22013858 0.69 GAA (0.41) GAAL3MBTL1OPRM1OPRL1KDM1A
SCHEMBL7254753 0.65 KDM4E (0.41) KDM1AMAOAMAOBKDM4EATM
SCHEMBL7269135 0.64 KDM1A (0.43) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL7276325 0.63 KDM1A (0.46) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL28197496 0.62 HPGD (0.44) GAAL3MBTL1OPRM1OPRL1KDM1A
SCHEMBL15355130 0.61 OPRM1 (0.44) OPRM1OPRL1KDM1AMAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319325-A2 Photosensitive material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-07 EP disclosed